5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;hydrochloride

C7H10ClN3O — CID 135741600

IUPAC5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;hydrochloride
SMILESCl.O=c1[nH]cnc2c1CCNC2
InChIInChI=1S/C7H9N3O.ClH/c11-7-5-1-2-8-3-6(5)9-4-10-7;/h4,8H,1-3H2,(H,9,10,11);1H
InChIKeyIOZSZWUATWVTNN-UHFFFAOYSA-N
MW187.63 g/mol
LogP-0.16
Rot. Bonds

About 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;hydrochloride

5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;hydrochloride (PubChem CID 135741600) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;hydrochloride
PubChem CID135741600
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;hydrochloride
SMILESCl.O=c1[nH]cnc2c1CCNC2
InChIInChI=1S/C7H9N3O.ClH/c11-7-5-1-2-8-3-6(5)9-4-10-7;/h4,8H,1-3H2,(H,9,10,11);1H
InChIKeyIOZSZWUATWVTNN-UHFFFAOYSA-N
XLogP-0.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;hydrochloride?
The IUPAC name of 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;hydrochloride (CID 135741600) is 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;hydrochloride is Cl.O=c1[nH]cnc2c1CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;hydrochloride?
The InChIKey is IOZSZWUATWVTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O.ClH/c11-7-5-1-2-8-3-6(5)9-4-10-7;/h4,8H,1-3H2,(H,9,10,11);1H.
What are the key properties of 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;hydrochloride?
5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;hydrochloride has a molecular weight of 187.63 g/mol, XLogP of -0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 135741600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).